4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline

C15H14N2OS — CID 2317696

IUPAC4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline
SMILESCCOc1ccc2nc(-c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H14N2OS/c1-2-18-12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,2,16H2,1H3
InChIKeyLEOZQOJMMLSBDY-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.94
Rot. Bonds3

About 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline

4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline (PubChem CID 2317696) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline
PubChem CID2317696
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline
SMILESCCOc1ccc2nc(-c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H14N2OS/c1-2-18-12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,2,16H2,1H3
InChIKeyLEOZQOJMMLSBDY-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline (CID 2317696) is 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline is CCOc1ccc2nc(-c3ccc(N)cc3)sc2c1.
What is the InChIKey of 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline?
The InChIKey is LEOZQOJMMLSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-18-12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,2,16H2,1H3.
What are the key properties of 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline?
4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 2317696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).